SCHEMBL1111604

SCHEMBL1111604

CCCC[n+]1ccn(C)c1.CCN(CC)CCCCS(=O)(=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.33
KDM4E B2RXH2 6/20 0.33
MAPT P10636 5/20 0.33
HTT P42858 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RXFP1 Q9HBX9 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
PABPC1 P11940 2/20 0.32
HPGD P15428 2/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 4/20 0.32
APAF1 O14727 3/20 0.32
LMNA P02545 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
EIF4H Q15056 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
MEN1 O00255 3/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1111603 0.89 THRA (0.33) ALDH1A1KDM4EMAPTHTTSMN1; SMN2
SCHEMBL4023086 0.87 MEN1 (0.36) SMN1; SMN2KMT2AMEN1
SCHEMBL28143118 0.87 MEN1 (0.36) SMN1; SMN2KMT2AMEN1
SCHEMBL4266264 0.84
SCHEMBL7742084 0.84 KDM4E (0.37) ALDH1A1KDM4EMAPTHTTSMN1; SMN2
SCHEMBL1992347 0.84 PABPC1 (0.33) ALDH1A1KDM4EMAPTHTTSMN1; SMN2
SCHEMBL1111608 0.84 HTT (0.34) ALDH1A1KDM4EMAPTHTTSMN1; SMN2
SCHEMBL28652452 0.83 KDM4E (0.37) ALDH1A1KDM4EMAPTHTTSMN1; SMN2
SCHEMBL4363080 0.83 PABPC1 (0.39) ALDH1A1KDM4EHTTSMN1; SMN2RXFP1
SCHEMBL4370508 0.81 PABPC1 (0.43) ALDH1A1KDM4EMAPTHTTSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2279192-B1 IONIC LIQUIDS MERCK PATENT GMBH (DE) 2013-10-30 EP claimed
US-8642778-B2 Ionic liquids MERCK PATENT GMBH (DE) 2014-02-04 US disclosed
US-20110152537-A1 IONIC LIQUIDS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-06-23 US disclosed
EP-2279192-A2 IONIC LIQUIDS Merck Patent GmbH (DE) 2011-02-02 EP disclosed
WO-2009152902-A2 IONIC LIQUIDS MERCK PATENT GMBH, (DE) 2009-12-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110152537-A1 IONIC LIQUIDS HCN3, CHRNA3, CHRM3 ALDH1A1 3058/4885KDM4E 2696/4885MAPT 2564/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.